CID 386371

197166-39-5

Structural Information

Molecular Formula
C16H14Cl4N2O2S
SMILES
C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C16H14Cl4N2O2S/c17-11-1-3-14(19)16(9-11)25(23,24)22-7-5-21(6-8-22)12-2-4-13(18)15(20)10-12/h1-4,9-10H,5-8H2
InChIKey
VAQACFCOJXBJFH-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-4-(2,5-dichlorophenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.953 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.960276 189.5
[M+Na]+ 460.942218 198.3
[M-H]- 436.945724 193.4
[M+NH4]+ 455.986823 198.3
[M+K]+ 476.916158 191.8
[M+H-H2O]+ 420.950260 182.2
[M+HCOO]- 482.951201 181.6
[M+CH3COO]- 496.966851 196.6
[M+Na-2H]- 458.927666 187.3
[M]+ 437.95245142 191.0
[M]- 437.95354858 191.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.